| CAS Number | 88563-83-1 |
| Catalog Number | AG008BGS(AGN-PC-0MYG63) |
| Chemical Name | 1-(1-Bromoethyl)-3-methoxybenzene |
| IUPAC Name | 1-(1-bromoethyl)-3-methoxybenzene |
| InChI | InChI=1S/C9H11BrO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,1-2H3 |
| InChI Key | YGBWEVLCLQXBKI-UHFFFAOYSA-N |
| MDL Number | MFCD11180268 |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.0870 |
| SMILES | BrC(C)C1=CC(=CC=C1)OC |
| Synonyms | 1-(1-bromoethyl)-3-methoxybenzene,
88563-83-1,
Benzene, 1-(1-bromoethyl)-3-methoxy-,
ACMC-20lbeu,
SCHEMBL4431450,
CTK3A9547,
DTXSID50435323,
NE21979,
1-(1-bromoethyl)-3-methoxy-benzene,
CID10081985,
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| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.09g/mol |
| Monoisotopic Mass | 213.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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